SCHEMBL11528148

SCHEMBL11528148

CC[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
CTRB1 P17538 2/20 0.61
ATM Q13315 1/20 0.53
CTSL P07711 6/20 0.53
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
CTSB P07858 3/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ELANE P08246 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL213314 1.00 SYK (0.64) SYKCTRB1ATMCTSLCTSS
SCHEMBL2636259 1.00 SYK (0.64) SYKCTRB1ATMCTSLCTSS
Acetic Acid SCHEMBL9810154 0.97 SYK (0.62) SYKCTRB1ATMCTSLCTSS
SCHEMBL12220545 0.92 SYK (0.69) SYKCTRB1ATMCTSLCTSS
SCHEMBL4829896 0.91 CTRB1 (0.68) SYKCTRB1ATMCTSLCTSS
SCHEMBL28366233 0.88 CTRB1 (0.58) SYKCTRB1ATMCTSLCTSS
SCHEMBL21906489 0.88 CTRB1 (0.58) SYKCTRB1ATMCTSLCTSS
SCHEMBL15271597 0.88 CTRB1 (0.58) SYKCTRB1ATMCTSLCTSS
SCHEMBL14595243 0.88 CTRB1 (0.74) SYKCTRB1ATMCTSLCTSS
SCHEMBL8900969 0.88 CTRB1 (0.74) SYKCTRB1ATMCTSLCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
US-4180565-A ANTIBACTERIAL AGENTS, ANTIBIOTICS SCHERING CORPORATION (US) 1979-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, TRPV1, TRPA1 SYK 2011/4885CTRB1 2498/4885ATM 2773/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.